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CS-W001157 4
Total: USD 88.00

5,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

  • CAS No. 331662-65-8

  • Cat. No. CS-0001193
  • Molecule weight230.22
  • Purity≥98%
  • MDL No.MFCD11846478

*For research and further manufacturing use only, not for direct human use.

5,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001193

Structure of 331662-65-8

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General Information

  • CAS No. 331662-65-8
  • Cat. No. CS-0001193
  • Purity ≥98%
  • MDL No. MFCD11846478
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₃
  • Molecular Weight 230.22
  • Synonym(s) 4-Hydroxy-5,7-dimethoxyquinoline-3-carbonitrile
  • SMILES N#CC1=CNC2=C(C(OC)=CC(OC)=C2)C1=O

Synthesis

  • Route1
    • Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate|CS-0250204
      712307-63-6
    • ~88%
    • 5,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001193
      331662-65-8

    References

    • Boschelli; Wang; Ye; Wu; Zhang; Dutia; Powell; Wissner; Arndt; Weber Journal of Medicinal Chemistry, 2001 , vol. 44, # 5 p. 822 - 833
  • Route2

    References

    • Boschelli; Wang; Ye; Wu; Zhang; Dutia; Powell; Wissner; Arndt; Weber Journal of Medicinal Chemistry, 2001 , vol. 44, # 5 p. 822 - 833
  • Route3
    • Methyl 2-amino-4,6-dimethoxybenzoate|CS-0150504
      379228-26-9
    • ~%
    • 5,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0001193
      331662-65-8

    References

    • Zhang, Nan; Wu, Biqi; Powell, Dennis; Wissner, Allan; B. Floyd, Middleton; D. Kovacs, Eleonora; Toral-Barza, Lourdes; Kohler, Constance Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 24 p. 2825 - 2828

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   75.11
  • LogP   1.41698
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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